Fe2In2O6
This compound is a complex oxide containing iron and indium. It is primarily studied for its structural properties and potential utility in advanced electronic or magnetic material research.
Overview
Key Properties
Cross-validated computational properties for Fe2In2O6, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
1.21 eV
Range across DFT structures
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
0.047 eV/atom
Best (lowest) across sources
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Fe2In2O6, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 1.21 | 0.0475 | -7.018 | 5.88 |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| — | — | — | — | — | 5.81 |
| — | — | — | — | — | 5.00 |
Uses
Applications
Where Fe2In2O6 is used.
Materials science researchSemiconductor developmentMagnetic material studies
Reference
Frequently Asked Questions
Common questions about Fe2In2O6, answered from cross-validated data.
What is Fe2In2O6?
This compound is a complex oxide containing iron and indium. It is primarily studied for its structural properties and potential utility in advanced electronic or magnetic material research.
More questions
What is Fe2In2O6 used for?
Fe2In2O6 is used in materials science research, semiconductor development, and magnetic material studies.
What is the band gap of Fe2In2O6?
Fe2In2O6 has a DFT-computed band gap of 1.21 eV across 5 reported structures.
Is Fe2In2O6 a metal, semiconductor, or insulator?
With a band gap up to 1.21 eV it is a semiconductor.
Is Fe2In2O6 thermodynamically stable?
Fe2In2O6 has a lowest energy above hull of 0.047 eV/atom (metastable).
What is the crystal structure of Fe2In2O6?
The lowest-energy reported polymorph of Fe2In2O6 is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of Fe2In2O6?
The computed density of the ground-state structure of Fe2In2O6 is 5.88 g/cm³.
How many polymorphs of Fe2In2O6 are known?
5 structures of Fe2In2O6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Fe2In2O6 contain?
Fe2In2O6 contains Fe, In, and O (3 elements).
Where does the data for Fe2In2O6 come from?
Fe2In2O6 data is cross-referenced from materials_project, aflow, omat24.
Explore
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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